Structures and Energetics of NI₃ and N₂I₄

Authors

Isaac M. Turan, Cleveland State University
David W. Ball, Cleveland State UniversityFollow

Document Type

Article

Publication Date

3-19-2019

Publication Title

ChemPhysChem

Abstract

We have applied new methods for performing coupled‐cluster calculations to small molecules containing iodine atoms; specifically, NI₃ and N₂I₄. Because NI₃ is known to be very reactive, attempts to measure its thermodynamic properties have been challenging at best. To date, N₂I₄ has not been isolated, and our results suggest that its isolation will be just as challenging. We find that the ΔH _f(NI₃)=+307.7 kJ mol⁻¹ and ΔH _f(N₂I₄)=+551.6 kJ mol⁻¹, confirming that they are unstable with respect to their decomposition products N₂ and I₂.

Recommended Citation

Turan, Isaac M. and Ball, David W., "Structures and Energetics of NI₃ and N₂I₄" (2019). Chemistry Faculty Publications. 498.
https://engagedscholarship.csuohio.edu/scichem_facpub/498

Volume

20

Issue

6